9911830 -OEChem-11191922373D 51 54 0 0 0 0 0 0 0999 V2000 1.0111 -1.1657 -2.2722 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 0.7449 1.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8120 -2.4355 1.0038 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5387 -1.2076 -0.7945 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7625 0.1157 0.7152 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5749 0.5296 1.3361 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5450 2.4609 -1.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2519 -0.3023 -0.4086 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5503 -0.4345 -0.5583 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3812 0.2090 0.8343 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9667 0.6388 0.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8374 1.2688 -0.6783 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7691 1.2896 0.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3037 -0.6057 0.7941 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4999 -1.2301 0.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0269 0.6219 -1.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3623 -0.6153 -0.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4651 2.5180 -0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6006 0.4810 0.9684 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3790 3.0558 -0.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9501 -0.0497 0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4461 -0.1331 -0.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4899 0.8361 1.7434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8394 -0.4004 -0.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7753 0.5685 1.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4751 -0.0118 0.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3786 -3.6006 0.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9339 -0.3317 -0.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6806 -0.8987 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9205 -0.7832 -1.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0713 -0.4768 -0.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4993 -0.6561 -0.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6384 -1.0982 1.5003 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7146 1.0888 -1.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5537 3.0557 0.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1966 4.0148 -1.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3052 -0.4279 -0.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 1.3175 2.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5718 0.8748 1.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3211 -0.7541 -1.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -0.8705 -1.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2865 -3.6194 0.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8234 -3.6376 -0.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7068 -4.4793 0.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5360 -1.4509 -0.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5199 -1.2043 1.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9025 0.1722 -0.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8331 -1.2588 -2.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9724 -1.2793 0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6473 -1.1402 -1.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0118 0.3106 -0.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 13 1 0 0 0 0 2 19 1 0 0 0 0 3 15 1 0 0 0 0 3 27 1 0 0 0 0 4 17 1 0 0 0 0 4 29 1 0 0 0 0 5 10 1 0 0 0 0 5 31 1 0 0 0 0 6 26 2 0 0 0 0 7 12 2 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 8 26 1 0 0 0 0 8 40 1 0 0 0 0 9 26 1 0 0 0 0 9 28 1 0 0 0 0 9 41 1 0 0 0 0 10 28 2 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 16 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 17 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 18 20 2 0 0 0 0 18 35 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 36 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 25 2 0 0 0 0 23 38 1 0 0 0 0 25 39 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 30 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 30 31 2 0 0 0 0 30 48 1 0 0 0 0 31 32 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 M END > DB11800 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SPMVMDHWKHCIDT-UHFFFAOYSA-N/SDF?record_type=3d > COC1=C(OC)C=C2C(OC3=CC(Cl)=C(NC(=O)NC4=NOC(C)=C4)C=C3)=CC=NC2=C1 > InChI=1S/C22H19ClN4O5/c1-12-8-21(27-32-12)26-22(28)25-16-5-4-13(9-15(16)23)31-18-6-7-24-17-11-20(30-3)19(29-2)10-14(17)18/h4-11H,1-3H3,(H2,25,26,27,28) > SPMVMDHWKHCIDT-UHFFFAOYSA-N > C22H19ClN4O5 > 454.863 > 454.104397445 > 5 > 51 > 44.259333796867544 > 1 > 2 > 0 > 1 > 1-{2-chloro-4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-3-(5-methyl-1,2-oxazol-3-yl)urea > 4.25 > 4.223863397 > -3.94 > 1 > 4 > 0 > 17.325542566105597 > 8.274400409804507 > 5.890234087140727 > 107.74000000000001 > 120.85130000000001 > 6 > 1 > 5.21e-02 g/l > (Z)-N'-cyano-N-(3,3-dimethylbutan-2-yl)-N''-(pyridin-4-yl)guanidine > 0 $$$$